| CAS Number | 1936689-91-6 |
| Catalog Number | AG01CAF2 |
| Chemical Name | 2-cyclopropyl-2-methylpropanal |
| IUPAC Name | 2-cyclopropyl-2-methylpropanal |
| InChI | InChI=1S/C7H12O/c1-7(2,5-8)6-3-4-6/h5-6H,3-4H2,1-2H3 |
| InChI Key | JPFVGZCDZALHHO-UHFFFAOYSA-N |
| MDL Number | MFCD31462209 |
| Molecular Formula | C7H12O |
| Molecular Weight | 112.1696 |
| SMILES | CC(C1CC1)(C=O)C |
| Synonyms | 2-cyclopropyl-2-methylpropanal,
1936689-91-6,
|
| Complexity | 101 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 112.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 112.172g/mol |
| Monoisotopic Mass | 112.089g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number